SCHEMBL7658803

SCHEMBL7658803

CCCCOc1ccc2c(ccc3cc(F)ccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1A P35813 2/20 0.56
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
TSHR P16473 2/20 0.43
FAAH O00519 2/20 0.41
PDE2A O00408 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GALR3 O60755 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7656268 0.97 PPM1A (0.54) PPM1ACA12CA1CA2CA3
SCHEMBL7668477 0.95 PPM1A (0.53) PPM1ACA12CA1CA2CA3
SCHEMBL7662625 0.93 PPM1A (0.50) PPM1ACA12CA1CA2CA3
SCHEMBL16519478 0.88 CA12 (0.51) PPM1ACA12CA1CA2CA3
SCHEMBL7653725 0.86 PPM1A (0.54) PPM1ACA12CA1CA4CA6
SCHEMBL8724311 0.84 NR5A1 (0.55) CA12CA1CA2CA3CA4
SCHEMBL12259997 0.83 NR5A1 (0.53) CA12CA1CA2CA3CA4
SCHEMBL12259989 0.83 NR5A1 (0.53) CA12CA1CA2CA3CA4
SCHEMBL12278287 0.83 NR5A1 (0.53) CA12CA1CA2CA3CA4
SCHEMBL8430526 0.83 CA12 (0.47) PPM1ACA12CA1CA2CA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495220-B2 WITH POSITIVE DIELECTRIC ANISOTROPY AND FAVORABLE VISCOSITY; THERMAL, LIGHT AND ULTRAVIOLET STABILITY; USE IN PORTABLE TELEPHONES AND NOTEBOOK COMPUTERS CLARIANT INTERNATIONAL LTD. (CH) 2002-12-17 US disclosed
US-20010023935-A1 With positive dielectric anisotropy and favorable viscosity; thermal, light and ultraviolet stability; use in portable telephones and notebook computers CLARIANT INTERNATIONAL LTD. (CH) 2001-09-27 US disclosed